chempirical

2-Iodobutane

C4H9ICAS 513-48-4184.02 g/mol

Open in Covalent MOL file
I
Alkyl halide

Properties

Molecular formula
C4H9I
Molar mass
184.02 g/mol
Exact mass
183.9749 Da
Density
1.585 g/mL (at 20 °C)
Melting point
−104 °C
Boiling point
120 °C
logP
2.22Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
513-48-4
SMILES
CCC(C)I
InChIKey
IQRUSQUYPCHEKN-UHFFFAOYSA-N
InChI
InChI=1S/C4H9I/c1-3-4(2)5/h4H,3H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

6 names
  • Butane, 2-iodo-
  • sec-Butyl iodide
  • sec-Iodobutane
  • 2-Butyl iodide
  • (±)-2-Iodobutane
  • NSC 8422

Work with 2-Iodobutane

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,4-Dimethylhexane583-48-239 % similar Isopentane78-78-439 % similar 3-Methylpentane96-14-039 % similar 3-Ethyl-2-methylpentane609-26-735 % similar 3,5-Dimethylheptane926-82-935 % similar (-)-sec-Butylamine13250-12-933 % similar sec-Butylamine13952-84-633 % similar (-)-2-Butanol14898-79-433 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Isobutyl iodide513-38-2 Butyl iodide542-69-8 2-Iodo-2-methylpropane558-17-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook